SCHEMBL13645244

SCHEMBL13645244

O=C1c2ccccc2C2C=CC(Br)=CC12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
S100A4 P26447 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CES1 P23141 1/20 0.31
IDO1 P14902 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12700844 0.87 MEN1 (0.40) MEN1KMT2APOLBCYP1A2MAPK1
SCHEMBL16168528 0.74 MEN1 (0.43) MEN1KMT2APOLBCYP2D6CYP1A2
SCHEMBL13298451 0.72 ACHE (0.45) MEN1KMT2ACES1TDP1L3MBTL1
SCHEMBL6727229 0.71 S100A4 (0.41) MEN1KMT2ACYP1A2MAPK1NPC1
SCHEMBL13298447 0.67 MAPT (0.42) MEN1KMT2APOLBCYP1A2MAPK1
SCHEMBL13579132 0.67 MEN1 (0.41) MEN1KMT2APOLBCYP1A2MAPK1
SCHEMBL3715309 0.66 S100A4 (0.43) MEN1KMT2APOLBCYP1A2MAPK1
SCHEMBL22908964 0.66 KMT2A (0.39) MEN1KMT2APOLBCYP1A2MAPK1
SCHEMBL22913761 0.65 S100A4 (0.31) S100A4
SCHEMBL25923379 0.64 CYP1A2 (0.36) MEN1KMT2APOLBCYP2D6CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257630-A1 RESIN AND METHOD FOR MANUFACTURING SAME Lg Chem, Ltd. (KR) 2023-10-11 EP disclosed
EP-2108690-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 EP disclosed